USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0163) USER MOD Single : A 2 THR OG1 : rot 48:sc= -0.182 USER MOD Single : A 5 GLN : amide:sc= -0.58 K(o=-0.58,f=-0.041) USER MOD Single : A 19 ASN : amide:sc= 0.51 K(o=0.51,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.0335 (180deg=-0.224) USER MOD Single : A 36 THR OG1 : rot -138:sc= -0.0213 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0884 USER MOD Single : A 52 GLN : amide:sc= 0.474 X(o=0.47,f=-0.013) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.519) USER MOD Single : A 62 LYS NZ :NH3+ -115:sc= 0.0817 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0.747 K(o=0.75,f=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.0931 K(o=0.093,f=-1) USER MOD Single : A 80 TYR OH : rot -160:sc= -0.193 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 162:sc= -0.847 (180deg=-1.23) USER MOD Single : A 88 ASN : amide:sc= -0.566 K(o=-0.57,f=-2.2) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 70:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.263 9.208 -15.852 1.00 0.00 N ATOM 2 CA MET A 1 -15.334 9.750 -14.830 1.00 0.00 C ATOM 3 C MET A 1 -15.918 9.586 -13.436 1.00 0.00 C ATOM 4 O MET A 1 -17.109 9.815 -13.223 1.00 0.00 O ATOM 5 CB MET A 1 -15.053 11.228 -15.104 1.00 0.00 C ATOM 6 CG MET A 1 -14.142 11.463 -16.297 1.00 0.00 C ATOM 7 SD MET A 1 -13.881 13.215 -16.632 1.00 0.00 S ATOM 8 CE MET A 1 -12.571 13.596 -15.471 1.00 0.00 C ATOM 0 H1 MET A 1 -15.819 9.267 -16.791 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.479 8.215 -15.633 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.143 9.762 -15.850 1.00 0.00 H new ATOM 0 HA MET A 1 -14.399 9.192 -14.885 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.998 11.744 -15.272 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.600 11.673 -14.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.180 10.984 -16.115 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.573 10.988 -17.178 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.300 14.648 -15.560 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.914 13.394 -14.456 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.700 12.978 -15.689 1.00 0.00 H new ATOM 18 N THR A 2 -15.077 9.184 -12.493 1.00 0.00 N ATOM 19 CA THR A 2 -15.508 8.986 -11.115 1.00 0.00 C ATOM 20 C THR A 2 -14.979 10.104 -10.215 1.00 0.00 C ATOM 21 O THR A 2 -13.814 10.094 -9.833 1.00 0.00 O ATOM 22 CB THR A 2 -15.036 7.619 -10.575 1.00 0.00 C ATOM 23 OG1 THR A 2 -13.668 7.390 -10.940 1.00 0.00 O ATOM 24 CG2 THR A 2 -15.904 6.498 -11.128 1.00 0.00 C ATOM 0 H THR A 2 -14.090 8.988 -12.657 1.00 0.00 H new ATOM 0 HA THR A 2 -16.598 9.008 -11.107 1.00 0.00 H new ATOM 0 HB THR A 2 -15.123 7.631 -9.489 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.136 8.186 -10.731 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.557 5.542 -10.737 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.940 6.658 -10.828 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.838 6.490 -12.216 1.00 0.00 H new ATOM 32 N PRO A 3 -15.832 11.085 -9.865 1.00 0.00 N ATOM 33 CA PRO A 3 -15.438 12.220 -9.012 1.00 0.00 C ATOM 34 C PRO A 3 -14.983 11.782 -7.620 1.00 0.00 C ATOM 35 O PRO A 3 -14.057 12.357 -7.059 1.00 0.00 O ATOM 36 CB PRO A 3 -16.716 13.066 -8.916 1.00 0.00 C ATOM 37 CG PRO A 3 -17.569 12.616 -10.052 1.00 0.00 C ATOM 38 CD PRO A 3 -17.245 11.169 -10.264 1.00 0.00 C ATOM 0 HA PRO A 3 -14.587 12.757 -9.430 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.219 12.913 -7.961 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.490 14.130 -8.990 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.626 12.750 -9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.362 13.198 -10.950 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -17.876 10.521 -9.655 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -17.390 10.871 -11.302 1.00 0.00 H new ATOM 46 N GLU A 4 -15.628 10.755 -7.079 1.00 0.00 N ATOM 47 CA GLU A 4 -15.289 10.249 -5.752 1.00 0.00 C ATOM 48 C GLU A 4 -13.917 9.575 -5.734 1.00 0.00 C ATOM 49 O GLU A 4 -13.107 9.831 -4.844 1.00 0.00 O ATOM 50 CB GLU A 4 -16.354 9.262 -5.275 1.00 0.00 C ATOM 51 CG GLU A 4 -16.575 9.290 -3.772 1.00 0.00 C ATOM 52 CD GLU A 4 -17.672 8.346 -3.325 1.00 0.00 C ATOM 53 OE1 GLU A 4 -17.360 7.174 -3.027 1.00 0.00 O ATOM 54 OE2 GLU A 4 -18.843 8.778 -3.270 1.00 0.00 O ATOM 0 H GLU A 4 -16.389 10.255 -7.538 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.253 11.104 -5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.296 9.485 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.064 8.254 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.646 9.026 -3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.827 10.305 -3.465 1.00 0.00 H new ATOM 61 N GLN A 5 -13.654 8.730 -6.725 1.00 0.00 N ATOM 62 CA GLN A 5 -12.386 8.009 -6.797 1.00 0.00 C ATOM 63 C GLN A 5 -11.231 8.908 -7.241 1.00 0.00 C ATOM 64 O GLN A 5 -10.109 8.750 -6.767 1.00 0.00 O ATOM 65 CB GLN A 5 -12.509 6.810 -7.740 1.00 0.00 C ATOM 66 CG GLN A 5 -13.282 5.646 -7.141 1.00 0.00 C ATOM 67 CD GLN A 5 -13.340 4.445 -8.064 1.00 0.00 C ATOM 68 OE1 GLN A 5 -12.443 3.603 -8.062 1.00 0.00 O ATOM 69 NE2 GLN A 5 -14.399 4.359 -8.859 1.00 0.00 N ATOM 0 H GLN A 5 -14.299 8.527 -7.488 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.159 7.659 -5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.002 7.129 -8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.511 6.470 -8.015 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -12.818 5.353 -6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -14.297 5.970 -6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -15.120 5.080 -8.828 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -14.492 3.572 -9.501 1.00 0.00 H new ATOM 78 N ARG A 6 -11.510 9.847 -8.145 1.00 0.00 N ATOM 79 CA ARG A 6 -10.481 10.752 -8.667 1.00 0.00 C ATOM 80 C ARG A 6 -10.088 11.845 -7.667 1.00 0.00 C ATOM 81 O ARG A 6 -9.026 12.454 -7.797 1.00 0.00 O ATOM 82 CB ARG A 6 -10.954 11.394 -9.973 1.00 0.00 C ATOM 83 CG ARG A 6 -10.975 10.428 -11.149 1.00 0.00 C ATOM 84 CD ARG A 6 -9.667 10.455 -11.920 1.00 0.00 C ATOM 85 NE ARG A 6 -9.701 9.576 -13.088 1.00 0.00 N ATOM 86 CZ ARG A 6 -8.814 9.630 -14.079 1.00 0.00 C ATOM 87 NH1 ARG A 6 -7.825 10.513 -14.037 1.00 0.00 N ATOM 88 NH2 ARG A 6 -8.909 8.796 -15.106 1.00 0.00 N ATOM 0 H ARG A 6 -12.441 10.002 -8.533 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.594 10.146 -8.849 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.955 11.800 -9.828 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.302 12.233 -10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.163 9.417 -10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.797 10.685 -11.817 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.456 11.475 -12.240 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.852 10.152 -11.262 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.446 8.882 -13.147 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.744 11.151 -13.245 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.145 10.554 -14.797 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.664 8.110 -15.138 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.228 8.840 -15.864 1.00 0.00 H new ATOM 102 N GLU A 7 -10.942 12.105 -6.683 1.00 0.00 N ATOM 103 CA GLU A 7 -10.657 13.134 -5.685 1.00 0.00 C ATOM 104 C GLU A 7 -10.027 12.551 -4.417 1.00 0.00 C ATOM 105 O GLU A 7 -9.604 13.300 -3.534 1.00 0.00 O ATOM 106 CB GLU A 7 -11.935 13.902 -5.333 1.00 0.00 C ATOM 107 CG GLU A 7 -12.309 14.968 -6.356 1.00 0.00 C ATOM 108 CD GLU A 7 -13.567 15.728 -5.982 1.00 0.00 C ATOM 109 OE1 GLU A 7 -13.456 16.736 -5.252 1.00 0.00 O ATOM 110 OE2 GLU A 7 -14.661 15.318 -6.421 1.00 0.00 O ATOM 0 H GLU A 7 -11.831 11.622 -6.554 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.932 13.819 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.759 13.195 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.808 14.374 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.483 15.671 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.450 14.497 -7.329 1.00 0.00 H new ATOM 117 N PHE A 8 -9.959 11.223 -4.317 1.00 0.00 N ATOM 118 CA PHE A 8 -9.396 10.590 -3.122 1.00 0.00 C ATOM 119 C PHE A 8 -8.206 9.669 -3.421 1.00 0.00 C ATOM 120 O PHE A 8 -7.224 9.673 -2.681 1.00 0.00 O ATOM 121 CB PHE A 8 -10.487 9.813 -2.377 1.00 0.00 C ATOM 122 CG PHE A 8 -11.420 10.701 -1.601 1.00 0.00 C ATOM 123 CD1 PHE A 8 -11.142 11.046 -0.288 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.573 11.195 -2.189 1.00 0.00 C ATOM 125 CE1 PHE A 8 -11.994 11.873 0.420 1.00 0.00 C ATOM 126 CE2 PHE A 8 -13.427 12.023 -1.488 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.139 12.361 -0.181 1.00 0.00 C ATOM 0 H PHE A 8 -10.280 10.574 -5.035 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.013 11.396 -2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -11.064 9.230 -3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.018 9.104 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.250 10.665 0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.807 10.929 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.765 12.138 1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.319 12.406 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 8 -13.807 13.006 0.371 1.00 0.00 H new ATOM 137 N LEU A 9 -8.284 8.889 -4.498 1.00 0.00 N ATOM 138 CA LEU A 9 -7.213 7.942 -4.838 1.00 0.00 C ATOM 139 C LEU A 9 -5.942 8.604 -5.411 1.00 0.00 C ATOM 140 O LEU A 9 -4.844 8.320 -4.934 1.00 0.00 O ATOM 141 CB LEU A 9 -7.726 6.873 -5.808 1.00 0.00 C ATOM 142 CG LEU A 9 -7.261 5.443 -5.505 1.00 0.00 C ATOM 143 CD1 LEU A 9 -8.329 4.437 -5.902 1.00 0.00 C ATOM 144 CD2 LEU A 9 -5.953 5.138 -6.223 1.00 0.00 C ATOM 0 H LEU A 9 -9.070 8.890 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.920 7.483 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.816 6.893 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.407 7.136 -6.816 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.091 5.362 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.980 3.429 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.243 4.637 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.531 4.523 -6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.641 4.119 -5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.096 5.241 -7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.184 5.836 -5.891 1.00 0.00 H new ATOM 156 N PRO A 10 -6.041 9.479 -6.440 1.00 0.00 N ATOM 157 CA PRO A 10 -4.861 10.118 -7.041 1.00 0.00 C ATOM 158 C PRO A 10 -4.261 11.237 -6.185 1.00 0.00 C ATOM 159 O PRO A 10 -3.282 11.867 -6.585 1.00 0.00 O ATOM 160 CB PRO A 10 -5.387 10.691 -8.372 1.00 0.00 C ATOM 161 CG PRO A 10 -6.790 10.199 -8.506 1.00 0.00 C ATOM 162 CD PRO A 10 -7.268 9.912 -7.114 1.00 0.00 C ATOM 0 HA PRO A 10 -4.050 9.398 -7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.354 11.781 -8.368 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.775 10.357 -9.210 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.420 10.947 -8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.831 9.302 -9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.700 10.795 -6.643 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.034 9.137 -7.100 1.00 0.00 H new ATOM 170 N GLU A 11 -4.835 11.477 -5.011 1.00 0.00 N ATOM 171 CA GLU A 11 -4.339 12.528 -4.127 1.00 0.00 C ATOM 172 C GLU A 11 -3.625 11.949 -2.900 1.00 0.00 C ATOM 173 O GLU A 11 -2.792 12.620 -2.290 1.00 0.00 O ATOM 174 CB GLU A 11 -5.492 13.438 -3.699 1.00 0.00 C ATOM 175 CG GLU A 11 -5.893 14.448 -4.766 1.00 0.00 C ATOM 176 CD GLU A 11 -6.898 15.463 -4.262 1.00 0.00 C ATOM 177 OE1 GLU A 11 -6.601 16.144 -3.257 1.00 0.00 O ATOM 178 OE2 GLU A 11 -7.982 15.578 -4.870 1.00 0.00 O ATOM 0 H GLU A 11 -5.639 10.963 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.606 13.115 -4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.356 12.823 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.207 13.972 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.003 14.969 -5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.314 13.919 -5.621 1.00 0.00 H new ATOM 185 N ILE A 12 -3.946 10.705 -2.547 1.00 0.00 N ATOM 186 CA ILE A 12 -3.330 10.048 -1.391 1.00 0.00 C ATOM 187 C ILE A 12 -1.914 9.551 -1.699 1.00 0.00 C ATOM 188 O ILE A 12 -1.068 9.485 -0.806 1.00 0.00 O ATOM 189 CB ILE A 12 -4.175 8.865 -0.854 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.646 7.958 -1.989 1.00 0.00 C ATOM 191 CG2 ILE A 12 -5.370 9.379 -0.068 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.830 6.693 -2.141 1.00 0.00 C ATOM 0 H ILE A 12 -4.628 10.131 -3.043 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.280 10.816 -0.619 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.539 8.278 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.688 7.688 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.612 8.516 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.952 8.535 0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.022 9.976 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.994 9.995 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.226 6.102 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.791 6.952 -2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.884 6.112 -1.220 1.00 0.00 H new ATOM 204 N LEU A 13 -1.670 9.189 -2.965 1.00 0.00 N ATOM 205 CA LEU A 13 -0.368 8.669 -3.393 1.00 0.00 C ATOM 206 C LEU A 13 0.776 9.652 -3.120 1.00 0.00 C ATOM 207 O LEU A 13 1.899 9.234 -2.862 1.00 0.00 O ATOM 208 CB LEU A 13 -0.393 8.280 -4.884 1.00 0.00 C ATOM 209 CG LEU A 13 -0.950 9.331 -5.857 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.152 10.259 -6.348 1.00 0.00 C ATOM 211 CD2 LEU A 13 -1.621 8.646 -7.037 1.00 0.00 C ATOM 0 H LEU A 13 -2.361 9.248 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.178 7.777 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.624 8.037 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.984 7.370 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.688 9.931 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.270 10.993 -7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.600 10.773 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.916 9.676 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.012 9.399 -7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.893 8.025 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.439 8.022 -6.678 1.00 0.00 H new ATOM 223 N ALA A 14 0.488 10.951 -3.171 1.00 0.00 N ATOM 224 CA ALA A 14 1.505 11.974 -2.933 1.00 0.00 C ATOM 225 C ALA A 14 1.985 11.955 -1.482 1.00 0.00 C ATOM 226 O ALA A 14 3.181 12.074 -1.213 1.00 0.00 O ATOM 227 CB ALA A 14 0.959 13.349 -3.293 1.00 0.00 C ATOM 0 H ALA A 14 -0.441 11.320 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 14 2.362 11.753 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.725 14.103 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.677 13.364 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.084 13.565 -2.680 1.00 0.00 H new ATOM 233 N GLU A 15 1.041 11.796 -0.559 1.00 0.00 N ATOM 234 CA GLU A 15 1.348 11.764 0.871 1.00 0.00 C ATOM 235 C GLU A 15 1.984 10.442 1.311 1.00 0.00 C ATOM 236 O GLU A 15 2.525 10.354 2.413 1.00 0.00 O ATOM 237 CB GLU A 15 0.077 12.017 1.683 1.00 0.00 C ATOM 238 CG GLU A 15 0.308 12.812 2.959 1.00 0.00 C ATOM 239 CD GLU A 15 -0.978 13.077 3.717 1.00 0.00 C ATOM 240 OE1 GLU A 15 -1.405 12.192 4.488 1.00 0.00 O ATOM 241 OE2 GLU A 15 -1.562 14.166 3.537 1.00 0.00 O ATOM 0 H GLU A 15 0.050 11.687 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 15 2.078 12.552 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.640 12.550 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.375 11.059 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.000 12.268 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.782 13.761 2.711 1.00 0.00 H new ATOM 248 N ILE A 16 1.933 9.413 0.466 1.00 0.00 N ATOM 249 CA ILE A 16 2.497 8.117 0.841 1.00 0.00 C ATOM 250 C ILE A 16 3.943 7.938 0.362 1.00 0.00 C ATOM 251 O ILE A 16 4.716 7.241 1.009 1.00 0.00 O ATOM 252 CB ILE A 16 1.629 6.930 0.343 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.988 5.658 1.113 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.801 6.705 -1.151 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.802 4.769 1.407 1.00 0.00 C ATOM 0 H ILE A 16 1.516 9.448 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 16 2.499 8.111 1.931 1.00 0.00 H new ATOM 0 HB ILE A 16 0.583 7.178 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.722 5.092 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.464 5.936 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.180 5.867 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.501 7.603 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.846 6.484 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.135 3.888 1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.076 5.317 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.338 4.460 0.470 1.00 0.00 H new ATOM 267 N ILE A 17 4.320 8.571 -0.749 1.00 0.00 N ATOM 268 CA ILE A 17 5.684 8.432 -1.268 1.00 0.00 C ATOM 269 C ILE A 17 6.721 9.019 -0.306 1.00 0.00 C ATOM 270 O ILE A 17 7.832 8.500 -0.185 1.00 0.00 O ATOM 271 CB ILE A 17 5.854 9.095 -2.657 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.776 8.607 -3.624 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.235 8.797 -3.227 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.460 9.589 -4.733 1.00 0.00 C ATOM 0 H ILE A 17 3.712 9.176 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 17 5.854 7.360 -1.369 1.00 0.00 H new ATOM 0 HB ILE A 17 5.750 10.173 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.098 7.664 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.864 8.401 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.336 9.271 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.998 9.187 -2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.360 7.719 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.686 9.173 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.107 10.525 -4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.359 9.777 -5.320 1.00 0.00 H new ATOM 286 N ALA A 18 6.343 10.082 0.398 1.00 0.00 N ATOM 287 CA ALA A 18 7.249 10.745 1.331 1.00 0.00 C ATOM 288 C ALA A 18 7.178 10.153 2.741 1.00 0.00 C ATOM 289 O ALA A 18 8.015 10.468 3.587 1.00 0.00 O ATOM 290 CB ALA A 18 6.942 12.235 1.371 1.00 0.00 C ATOM 0 H ALA A 18 5.416 10.503 0.340 1.00 0.00 H new ATOM 0 HA ALA A 18 8.265 10.583 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.620 12.728 2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.073 12.660 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.913 12.386 1.697 1.00 0.00 H new ATOM 296 N ASN A 19 6.181 9.306 3.000 1.00 0.00 N ATOM 297 CA ASN A 19 6.020 8.702 4.325 1.00 0.00 C ATOM 298 C ASN A 19 6.090 7.176 4.279 1.00 0.00 C ATOM 299 O ASN A 19 5.605 6.500 5.189 1.00 0.00 O ATOM 300 CB ASN A 19 4.690 9.135 4.943 1.00 0.00 C ATOM 301 CG ASN A 19 4.702 10.583 5.390 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.110 10.896 6.507 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.252 11.477 4.516 1.00 0.00 N ATOM 0 H ASN A 19 5.478 9.024 2.317 1.00 0.00 H new ATOM 0 HA ASN A 19 6.848 9.054 4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.891 8.989 4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.465 8.496 5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.236 12.467 4.761 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.923 11.173 3.600 1.00 0.00 H new ATOM 310 N LEU A 20 6.696 6.630 3.232 1.00 0.00 N ATOM 311 CA LEU A 20 6.803 5.178 3.098 1.00 0.00 C ATOM 312 C LEU A 20 8.254 4.723 3.051 1.00 0.00 C ATOM 313 O LEU A 20 9.116 5.403 2.497 1.00 0.00 O ATOM 314 CB LEU A 20 6.084 4.690 1.840 1.00 0.00 C ATOM 315 CG LEU A 20 5.820 3.183 1.787 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.432 2.868 2.318 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.979 2.664 0.366 1.00 0.00 C ATOM 0 H LEU A 20 7.117 7.161 2.470 1.00 0.00 H new ATOM 0 HA LEU A 20 6.329 4.745 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.131 5.213 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.677 4.970 0.969 1.00 0.00 H new ATOM 0 HG LEU A 20 6.552 2.682 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.261 1.792 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.353 3.205 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.685 3.380 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.788 1.591 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.269 3.171 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.994 2.858 0.019 1.00 0.00 H new ATOM 329 N ASP A 21 8.504 3.556 3.632 1.00 0.00 N ATOM 330 CA ASP A 21 9.839 2.973 3.654 1.00 0.00 C ATOM 331 C ASP A 21 9.783 1.525 3.177 1.00 0.00 C ATOM 332 O ASP A 21 9.317 0.649 3.904 1.00 0.00 O ATOM 333 CB ASP A 21 10.436 3.037 5.062 1.00 0.00 C ATOM 334 CG ASP A 21 10.776 4.453 5.481 1.00 0.00 C ATOM 335 OD1 ASP A 21 11.869 4.934 5.113 1.00 0.00 O ATOM 336 OD2 ASP A 21 9.951 5.081 6.177 1.00 0.00 O ATOM 0 H ASP A 21 7.793 2.991 4.097 1.00 0.00 H new ATOM 0 HA ASP A 21 10.477 3.548 2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.729 2.610 5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.336 2.423 5.100 1.00 0.00 H new ATOM 341 N PRO A 22 10.258 1.261 1.942 1.00 0.00 N ATOM 342 CA PRO A 22 10.255 -0.087 1.340 1.00 0.00 C ATOM 343 C PRO A 22 11.013 -1.138 2.157 1.00 0.00 C ATOM 344 O PRO A 22 10.801 -2.333 1.977 1.00 0.00 O ATOM 345 CB PRO A 22 10.956 0.123 -0.008 1.00 0.00 C ATOM 346 CG PRO A 22 10.806 1.572 -0.305 1.00 0.00 C ATOM 347 CD PRO A 22 10.827 2.268 1.023 1.00 0.00 C ATOM 0 HA PRO A 22 9.238 -0.475 1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.007 -0.161 0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.501 -0.488 -0.788 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.615 1.926 -0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.873 1.768 -0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.839 2.551 1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.232 3.181 1.008 1.00 0.00 H new ATOM 355 N THR A 23 11.889 -0.693 3.047 1.00 0.00 N ATOM 356 CA THR A 23 12.685 -1.598 3.872 1.00 0.00 C ATOM 357 C THR A 23 11.879 -2.211 5.018 1.00 0.00 C ATOM 358 O THR A 23 11.872 -3.428 5.205 1.00 0.00 O ATOM 359 CB THR A 23 13.898 -0.860 4.468 1.00 0.00 C ATOM 360 OG1 THR A 23 13.506 0.456 4.890 1.00 0.00 O ATOM 361 CG2 THR A 23 15.022 -0.752 3.448 1.00 0.00 C ATOM 0 H THR A 23 12.069 0.296 3.219 1.00 0.00 H new ATOM 0 HA THR A 23 13.013 -2.402 3.213 1.00 0.00 H new ATOM 0 HB THR A 23 14.259 -1.430 5.324 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.280 0.922 5.270 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.867 -0.227 3.892 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.334 -1.751 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.670 -0.201 2.576 1.00 0.00 H new ATOM 369 N LYS A 24 11.190 -1.355 5.770 1.00 0.00 N ATOM 370 CA LYS A 24 10.414 -1.783 6.933 1.00 0.00 C ATOM 371 C LYS A 24 9.153 -2.573 6.574 1.00 0.00 C ATOM 372 O LYS A 24 8.716 -3.422 7.352 1.00 0.00 O ATOM 373 CB LYS A 24 10.034 -0.565 7.776 1.00 0.00 C ATOM 374 CG LYS A 24 11.140 -0.108 8.715 1.00 0.00 C ATOM 375 CD LYS A 24 11.163 -0.928 9.993 1.00 0.00 C ATOM 376 CE LYS A 24 10.207 -0.363 11.031 1.00 0.00 C ATOM 377 NZ LYS A 24 10.698 0.925 11.595 1.00 0.00 N ATOM 0 H LYS A 24 11.153 -0.351 5.592 1.00 0.00 H new ATOM 0 HA LYS A 24 11.054 -2.460 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.769 0.258 7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.146 -0.801 8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.103 -0.191 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.998 0.945 8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.892 -1.960 9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.175 -0.945 10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.227 -0.211 10.578 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.077 -1.086 11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.229 1.107 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.726 0.871 11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.482 1.698 10.934 1.00 0.00 H new ATOM 391 N ILE A 25 8.567 -2.304 5.412 1.00 0.00 N ATOM 392 CA ILE A 25 7.341 -3.005 5.013 1.00 0.00 C ATOM 393 C ILE A 25 7.622 -4.317 4.279 1.00 0.00 C ATOM 394 O ILE A 25 6.891 -5.291 4.457 1.00 0.00 O ATOM 395 CB ILE A 25 6.424 -2.118 4.138 1.00 0.00 C ATOM 396 CG1 ILE A 25 7.211 -1.474 2.995 1.00 0.00 C ATOM 397 CG2 ILE A 25 5.751 -1.050 4.988 1.00 0.00 C ATOM 398 CD1 ILE A 25 6.361 -1.155 1.786 1.00 0.00 C ATOM 0 H ILE A 25 8.909 -1.620 4.738 1.00 0.00 H new ATOM 0 HA ILE A 25 6.827 -3.238 5.946 1.00 0.00 H new ATOM 0 HB ILE A 25 5.654 -2.754 3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.676 -0.556 3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.017 -2.144 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.109 -0.434 4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.150 -1.527 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.511 -0.423 5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.982 -0.701 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.917 -2.073 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.570 -0.461 2.070 1.00 0.00 H new ATOM 410 N LEU A 26 8.685 -4.352 3.473 1.00 0.00 N ATOM 411 CA LEU A 26 9.026 -5.553 2.708 1.00 0.00 C ATOM 412 C LEU A 26 9.419 -6.719 3.610 1.00 0.00 C ATOM 413 O LEU A 26 9.123 -7.873 3.303 1.00 0.00 O ATOM 414 CB LEU A 26 10.167 -5.262 1.730 1.00 0.00 C ATOM 415 CG LEU A 26 10.205 -6.168 0.500 1.00 0.00 C ATOM 416 CD1 LEU A 26 9.276 -5.634 -0.575 1.00 0.00 C ATOM 417 CD2 LEU A 26 11.624 -6.291 -0.033 1.00 0.00 C ATOM 0 H LEU A 26 9.321 -3.567 3.333 1.00 0.00 H new ATOM 0 HA LEU A 26 8.131 -5.839 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.087 -4.227 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.114 -5.355 2.261 1.00 0.00 H new ATOM 0 HG LEU A 26 9.864 -7.161 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.313 -6.289 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.257 -5.599 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.591 -4.631 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.629 -6.940 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.995 -5.304 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.267 -6.717 0.738 1.00 0.00 H new ATOM 429 N GLU A 27 10.071 -6.409 4.726 1.00 0.00 N ATOM 430 CA GLU A 27 10.523 -7.430 5.666 1.00 0.00 C ATOM 431 C GLU A 27 9.360 -8.156 6.348 1.00 0.00 C ATOM 432 O GLU A 27 9.393 -9.378 6.502 1.00 0.00 O ATOM 433 CB GLU A 27 11.424 -6.797 6.727 1.00 0.00 C ATOM 434 CG GLU A 27 12.816 -6.451 6.222 1.00 0.00 C ATOM 435 CD GLU A 27 13.692 -5.863 7.309 1.00 0.00 C ATOM 436 OE1 GLU A 27 13.664 -4.628 7.490 1.00 0.00 O ATOM 437 OE2 GLU A 27 14.404 -6.638 7.983 1.00 0.00 O ATOM 0 H GLU A 27 10.299 -5.454 5.003 1.00 0.00 H new ATOM 0 HA GLU A 27 11.079 -8.171 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.948 -5.891 7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.513 -7.482 7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.289 -7.348 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.735 -5.741 5.399 1.00 0.00 H new ATOM 444 N GLU A 28 8.333 -7.405 6.741 1.00 0.00 N ATOM 445 CA GLU A 28 7.175 -7.976 7.431 1.00 0.00 C ATOM 446 C GLU A 28 6.242 -8.732 6.481 1.00 0.00 C ATOM 447 O GLU A 28 5.490 -9.608 6.910 1.00 0.00 O ATOM 448 CB GLU A 28 6.398 -6.871 8.151 1.00 0.00 C ATOM 449 CG GLU A 28 7.114 -6.327 9.379 1.00 0.00 C ATOM 450 CD GLU A 28 7.222 -7.344 10.498 1.00 0.00 C ATOM 451 OE1 GLU A 28 6.221 -7.543 11.217 1.00 0.00 O ATOM 452 OE2 GLU A 28 8.307 -7.941 10.657 1.00 0.00 O ATOM 0 H GLU A 28 8.278 -6.397 6.594 1.00 0.00 H new ATOM 0 HA GLU A 28 7.555 -8.697 8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.216 -6.053 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.424 -7.258 8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.114 -5.999 9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.582 -5.448 9.744 1.00 0.00 H new ATOM 459 N LEU A 29 6.299 -8.396 5.195 1.00 0.00 N ATOM 460 CA LEU A 29 5.447 -9.039 4.196 1.00 0.00 C ATOM 461 C LEU A 29 5.986 -10.412 3.795 1.00 0.00 C ATOM 462 O LEU A 29 5.222 -11.363 3.618 1.00 0.00 O ATOM 463 CB LEU A 29 5.329 -8.146 2.960 1.00 0.00 C ATOM 464 CG LEU A 29 4.431 -6.921 3.131 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.736 -5.875 2.070 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.968 -7.325 3.076 1.00 0.00 C ATOM 0 H LEU A 29 6.925 -7.683 4.820 1.00 0.00 H new ATOM 0 HA LEU A 29 4.462 -9.183 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.326 -7.810 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.948 -8.745 2.133 1.00 0.00 H new ATOM 0 HG LEU A 29 4.633 -6.482 4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.085 -5.012 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.777 -5.562 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.566 -6.300 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.342 -6.441 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.755 -7.789 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.756 -8.034 3.876 1.00 0.00 H new ATOM 478 N LEU A 30 7.307 -10.505 3.660 1.00 0.00 N ATOM 479 CA LEU A 30 7.959 -11.751 3.269 1.00 0.00 C ATOM 480 C LEU A 30 7.983 -12.770 4.406 1.00 0.00 C ATOM 481 O LEU A 30 7.952 -13.978 4.165 1.00 0.00 O ATOM 482 CB LEU A 30 9.387 -11.471 2.801 1.00 0.00 C ATOM 483 CG LEU A 30 9.501 -10.720 1.476 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.827 -9.980 1.395 1.00 0.00 C ATOM 485 CD2 LEU A 30 9.356 -11.686 0.313 1.00 0.00 C ATOM 0 H LEU A 30 7.949 -9.728 3.817 1.00 0.00 H new ATOM 0 HA LEU A 30 7.377 -12.178 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.899 -10.895 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.915 -12.420 2.709 1.00 0.00 H new ATOM 0 HG LEU A 30 8.697 -9.986 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.891 -9.451 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.895 -9.264 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.647 -10.694 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.439 -11.139 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.142 -12.439 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.383 -12.174 0.364 1.00 0.00 H new ATOM 497 N ARG A 31 8.041 -12.278 5.643 1.00 0.00 N ATOM 498 CA ARG A 31 8.089 -13.150 6.818 1.00 0.00 C ATOM 499 C ARG A 31 6.734 -13.794 7.109 1.00 0.00 C ATOM 500 O ARG A 31 6.651 -14.754 7.876 1.00 0.00 O ATOM 501 CB ARG A 31 8.563 -12.364 8.040 1.00 0.00 C ATOM 502 CG ARG A 31 10.065 -12.131 8.056 1.00 0.00 C ATOM 503 CD ARG A 31 10.506 -11.404 9.312 1.00 0.00 C ATOM 504 NE ARG A 31 11.941 -11.133 9.310 1.00 0.00 N ATOM 505 CZ ARG A 31 12.621 -10.737 10.382 1.00 0.00 C ATOM 506 NH1 ARG A 31 11.999 -10.568 11.542 1.00 0.00 N ATOM 507 NH2 ARG A 31 13.924 -10.509 10.296 1.00 0.00 N ATOM 0 H ARG A 31 8.056 -11.281 5.858 1.00 0.00 H new ATOM 0 HA ARG A 31 8.797 -13.950 6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.052 -11.401 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.275 -12.901 8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.583 -13.088 7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.353 -11.551 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.960 -10.465 9.398 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.251 -12.003 10.186 1.00 0.00 H new ATOM 0 HE ARG A 31 12.451 -11.255 8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.996 -10.742 11.613 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.523 -10.264 12.362 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.407 -10.637 9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.444 -10.205 11.119 1.00 0.00 H new ATOM 521 N ARG A 32 5.679 -13.268 6.497 1.00 0.00 N ATOM 522 CA ARG A 32 4.337 -13.806 6.698 1.00 0.00 C ATOM 523 C ARG A 32 3.895 -14.634 5.495 1.00 0.00 C ATOM 524 O ARG A 32 2.900 -15.359 5.562 1.00 0.00 O ATOM 525 CB ARG A 32 3.340 -12.674 6.960 1.00 0.00 C ATOM 526 CG ARG A 32 3.517 -12.016 8.322 1.00 0.00 C ATOM 527 CD ARG A 32 2.747 -12.754 9.405 1.00 0.00 C ATOM 528 NE ARG A 32 2.900 -12.122 10.715 1.00 0.00 N ATOM 529 CZ ARG A 32 2.386 -12.619 11.839 1.00 0.00 C ATOM 530 NH1 ARG A 32 1.694 -13.751 11.809 1.00 0.00 N ATOM 531 NH2 ARG A 32 2.562 -11.985 12.992 1.00 0.00 N ATOM 0 H ARG A 32 5.725 -12.473 5.860 1.00 0.00 H new ATOM 0 HA ARG A 32 4.362 -14.459 7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.448 -11.918 6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.326 -13.068 6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.576 -11.992 8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.177 -10.982 8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.690 -12.787 9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.095 -13.786 9.458 1.00 0.00 H new ATOM 0 HE ARG A 32 3.430 -11.252 10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.556 -14.241 10.925 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.301 -14.131 12.670 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.092 -11.114 13.019 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.167 -12.369 13.851 1.00 0.00 H new ATOM 545 N GLY A 33 4.646 -14.530 4.398 1.00 0.00 N ATOM 546 CA GLY A 33 4.326 -15.278 3.195 1.00 0.00 C ATOM 547 C GLY A 33 3.225 -14.629 2.375 1.00 0.00 C ATOM 548 O GLY A 33 2.468 -15.316 1.689 1.00 0.00 O ATOM 0 H GLY A 33 5.473 -13.938 4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.222 -15.372 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.021 -16.287 3.471 1.00 0.00 H new ATOM 552 N LEU A 34 3.137 -13.303 2.448 1.00 0.00 N ATOM 553 CA LEU A 34 2.120 -12.557 1.711 1.00 0.00 C ATOM 554 C LEU A 34 2.673 -11.977 0.410 1.00 0.00 C ATOM 555 O LEU A 34 1.912 -11.540 -0.452 1.00 0.00 O ATOM 556 CB LEU A 34 1.571 -11.419 2.578 1.00 0.00 C ATOM 557 CG LEU A 34 0.216 -10.853 2.144 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.645 -10.552 3.359 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.407 -9.600 1.299 1.00 0.00 C ATOM 0 H LEU A 34 3.759 -12.722 3.011 1.00 0.00 H new ATOM 0 HA LEU A 34 1.321 -13.255 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.484 -11.777 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.299 -10.607 2.585 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.294 -11.601 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.605 -10.150 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.808 -11.469 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.140 -9.821 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.566 -9.211 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.935 -8.845 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.989 -9.846 0.411 1.00 0.00 H new ATOM 571 N LEU A 35 3.988 -12.007 0.245 1.00 0.00 N ATOM 572 CA LEU A 35 4.597 -11.431 -0.943 1.00 0.00 C ATOM 573 C LEU A 35 5.170 -12.510 -1.859 1.00 0.00 C ATOM 574 O LEU A 35 5.838 -13.437 -1.400 1.00 0.00 O ATOM 575 CB LEU A 35 5.703 -10.456 -0.534 1.00 0.00 C ATOM 576 CG LEU A 35 5.653 -9.092 -1.229 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.557 -8.096 -0.523 1.00 0.00 C ATOM 578 CD2 LEU A 35 6.042 -9.217 -2.694 1.00 0.00 C ATOM 0 H LEU A 35 4.645 -12.418 0.909 1.00 0.00 H new ATOM 0 HA LEU A 35 3.822 -10.900 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.649 -10.300 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.668 -10.917 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 35 4.628 -8.724 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.507 -7.134 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.230 -7.977 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.584 -8.462 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.999 -8.236 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.055 -9.612 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.351 -9.893 -3.198 1.00 0.00 H new ATOM 590 N THR A 36 4.898 -12.382 -3.161 1.00 0.00 N ATOM 591 CA THR A 36 5.400 -13.340 -4.141 1.00 0.00 C ATOM 592 C THR A 36 6.632 -12.788 -4.852 1.00 0.00 C ATOM 593 O THR A 36 6.784 -11.577 -4.990 1.00 0.00 O ATOM 594 CB THR A 36 4.332 -13.704 -5.194 1.00 0.00 C ATOM 595 OG1 THR A 36 3.788 -12.521 -5.786 1.00 0.00 O ATOM 596 CG2 THR A 36 3.215 -14.524 -4.570 1.00 0.00 C ATOM 0 H THR A 36 4.336 -11.628 -3.556 1.00 0.00 H new ATOM 0 HA THR A 36 5.664 -14.243 -3.591 1.00 0.00 H new ATOM 0 HB THR A 36 4.815 -14.301 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.818 -12.620 -5.882 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.474 -14.769 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.627 -15.444 -4.156 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.742 -13.948 -3.775 1.00 0.00 H new ATOM 604 N PRO A 37 7.530 -13.676 -5.311 1.00 0.00 N ATOM 605 CA PRO A 37 8.759 -13.273 -6.010 1.00 0.00 C ATOM 606 C PRO A 37 8.492 -12.619 -7.369 1.00 0.00 C ATOM 607 O PRO A 37 9.283 -11.800 -7.830 1.00 0.00 O ATOM 608 CB PRO A 37 9.519 -14.592 -6.184 1.00 0.00 C ATOM 609 CG PRO A 37 8.478 -15.655 -6.108 1.00 0.00 C ATOM 610 CD PRO A 37 7.423 -15.140 -5.173 1.00 0.00 C ATOM 0 HA PRO A 37 9.308 -12.517 -5.449 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.043 -14.622 -7.139 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.270 -14.720 -5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.059 -15.861 -7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.902 -16.590 -5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.431 -15.498 -5.449 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.604 -15.461 -4.147 1.00 0.00 H new ATOM 618 N ALA A 38 7.372 -12.978 -7.997 1.00 0.00 N ATOM 619 CA ALA A 38 7.000 -12.427 -9.300 1.00 0.00 C ATOM 620 C ALA A 38 6.552 -10.973 -9.178 1.00 0.00 C ATOM 621 O ALA A 38 6.918 -10.130 -9.997 1.00 0.00 O ATOM 622 CB ALA A 38 5.901 -13.269 -9.926 1.00 0.00 C ATOM 0 H ALA A 38 6.704 -13.651 -7.622 1.00 0.00 H new ATOM 0 HA ALA A 38 7.879 -12.452 -9.944 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.630 -12.851 -10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.256 -14.291 -10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.027 -13.269 -9.275 1.00 0.00 H new ATOM 628 N GLU A 39 5.760 -10.691 -8.145 1.00 0.00 N ATOM 629 CA GLU A 39 5.259 -9.342 -7.899 1.00 0.00 C ATOM 630 C GLU A 39 6.362 -8.456 -7.323 1.00 0.00 C ATOM 631 O GLU A 39 6.428 -7.252 -7.604 1.00 0.00 O ATOM 632 CB GLU A 39 4.070 -9.397 -6.934 1.00 0.00 C ATOM 633 CG GLU A 39 2.774 -9.852 -7.590 1.00 0.00 C ATOM 634 CD GLU A 39 1.687 -10.164 -6.580 1.00 0.00 C ATOM 635 OE1 GLU A 39 1.459 -9.334 -5.674 1.00 0.00 O ATOM 636 OE2 GLU A 39 1.065 -11.242 -6.691 1.00 0.00 O ATOM 0 H GLU A 39 5.451 -11.383 -7.463 1.00 0.00 H new ATOM 0 HA GLU A 39 4.932 -8.913 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.309 -10.074 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.920 -8.409 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.422 -9.075 -8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.969 -10.738 -8.194 1.00 0.00 H new ATOM 643 N LEU A 40 7.235 -9.072 -6.529 1.00 0.00 N ATOM 644 CA LEU A 40 8.345 -8.366 -5.899 1.00 0.00 C ATOM 645 C LEU A 40 9.355 -7.893 -6.935 1.00 0.00 C ATOM 646 O LEU A 40 9.723 -6.723 -6.950 1.00 0.00 O ATOM 647 CB LEU A 40 9.041 -9.272 -4.879 1.00 0.00 C ATOM 648 CG LEU A 40 9.790 -8.539 -3.758 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.758 -9.346 -2.470 1.00 0.00 C ATOM 650 CD2 LEU A 40 11.230 -8.259 -4.167 1.00 0.00 C ATOM 0 H LEU A 40 7.193 -10.066 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 40 7.938 -7.493 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.294 -9.925 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.747 -9.912 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 40 9.287 -7.588 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.295 -8.807 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.724 -9.497 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.232 -10.313 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.743 -7.739 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.739 -9.200 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.240 -7.637 -5.062 1.00 0.00 H new ATOM 662 N GLN A 41 9.792 -8.811 -7.799 1.00 0.00 N ATOM 663 CA GLN A 41 10.777 -8.499 -8.835 1.00 0.00 C ATOM 664 C GLN A 41 10.288 -7.416 -9.792 1.00 0.00 C ATOM 665 O GLN A 41 11.095 -6.766 -10.449 1.00 0.00 O ATOM 666 CB GLN A 41 11.135 -9.761 -9.624 1.00 0.00 C ATOM 667 CG GLN A 41 12.084 -10.693 -8.887 1.00 0.00 C ATOM 668 CD GLN A 41 13.539 -10.294 -9.035 1.00 0.00 C ATOM 669 OE1 GLN A 41 14.208 -10.692 -9.988 1.00 0.00 O ATOM 670 NE2 GLN A 41 14.040 -9.506 -8.091 1.00 0.00 N ATOM 0 H GLN A 41 9.477 -9.781 -7.801 1.00 0.00 H new ATOM 0 HA GLN A 41 11.663 -8.117 -8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.219 -10.302 -9.861 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.588 -9.470 -10.572 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.822 -10.707 -7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.951 -11.708 -9.261 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.451 -9.199 -7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 41 15.014 -9.208 -8.139 1.00 0.00 H new ATOM 679 N GLU A 42 8.974 -7.227 -9.878 1.00 0.00 N ATOM 680 CA GLU A 42 8.416 -6.214 -10.769 1.00 0.00 C ATOM 681 C GLU A 42 8.597 -4.809 -10.198 1.00 0.00 C ATOM 682 O GLU A 42 9.216 -3.943 -10.829 1.00 0.00 O ATOM 683 CB GLU A 42 6.929 -6.482 -11.019 1.00 0.00 C ATOM 684 CG GLU A 42 6.446 -6.025 -12.387 1.00 0.00 C ATOM 685 CD GLU A 42 4.966 -6.283 -12.596 1.00 0.00 C ATOM 686 OE1 GLU A 42 4.154 -5.408 -12.227 1.00 0.00 O ATOM 687 OE2 GLU A 42 4.619 -7.358 -13.129 1.00 0.00 O ATOM 0 H GLU A 42 8.282 -7.756 -9.347 1.00 0.00 H new ATOM 0 HA GLU A 42 8.957 -6.273 -11.713 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.739 -7.550 -10.915 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.344 -5.978 -10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.646 -4.960 -12.502 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.014 -6.541 -13.161 1.00 0.00 H new ATOM 694 N VAL A 43 8.089 -4.593 -8.983 1.00 0.00 N ATOM 695 CA VAL A 43 8.184 -3.285 -8.343 1.00 0.00 C ATOM 696 C VAL A 43 9.603 -3.007 -7.837 1.00 0.00 C ATOM 697 O VAL A 43 10.002 -1.856 -7.694 1.00 0.00 O ATOM 698 CB VAL A 43 7.148 -3.131 -7.198 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.370 -4.155 -6.100 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.168 -1.719 -6.627 1.00 0.00 C ATOM 0 H VAL A 43 7.611 -5.303 -8.428 1.00 0.00 H new ATOM 0 HA VAL A 43 7.950 -2.541 -9.104 1.00 0.00 H new ATOM 0 HB VAL A 43 6.163 -3.313 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.625 -4.015 -5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.277 -5.159 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.368 -4.027 -5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.432 -1.640 -5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.160 -1.501 -6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.926 -1.005 -7.414 1.00 0.00 H new ATOM 710 N LEU A 44 10.376 -4.060 -7.590 1.00 0.00 N ATOM 711 CA LEU A 44 11.746 -3.889 -7.120 1.00 0.00 C ATOM 712 C LEU A 44 12.675 -3.549 -8.279 1.00 0.00 C ATOM 713 O LEU A 44 13.718 -2.924 -8.086 1.00 0.00 O ATOM 714 CB LEU A 44 12.239 -5.147 -6.409 1.00 0.00 C ATOM 715 CG LEU A 44 13.489 -4.953 -5.552 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.108 -4.468 -4.163 1.00 0.00 C ATOM 717 CD2 LEU A 44 14.283 -6.246 -5.473 1.00 0.00 C ATOM 0 H LEU A 44 10.082 -5.030 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 44 11.754 -3.062 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.437 -5.527 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.444 -5.913 -7.157 1.00 0.00 H new ATOM 0 HG LEU A 44 14.118 -4.195 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.009 -4.334 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.580 -3.517 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.461 -5.204 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.170 -6.091 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.665 -7.026 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.584 -6.550 -6.476 1.00 0.00 H new ATOM 729 N ASP A 45 12.284 -3.960 -9.484 1.00 0.00 N ATOM 730 CA ASP A 45 13.072 -3.691 -10.679 1.00 0.00 C ATOM 731 C ASP A 45 12.982 -2.222 -11.072 1.00 0.00 C ATOM 732 O ASP A 45 13.997 -1.602 -11.391 1.00 0.00 O ATOM 733 CB ASP A 45 12.608 -4.566 -11.842 1.00 0.00 C ATOM 734 CG ASP A 45 13.726 -4.865 -12.822 1.00 0.00 C ATOM 735 OD1 ASP A 45 14.473 -5.837 -12.589 1.00 0.00 O ATOM 736 OD2 ASP A 45 13.854 -4.125 -13.819 1.00 0.00 O ATOM 0 H ASP A 45 11.424 -4.481 -9.656 1.00 0.00 H new ATOM 0 HA ASP A 45 14.111 -3.929 -10.450 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.210 -5.503 -11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.793 -4.067 -12.366 1.00 0.00 H new ATOM 741 N LEU A 46 11.770 -1.663 -11.046 1.00 0.00 N ATOM 742 CA LEU A 46 11.594 -0.257 -11.412 1.00 0.00 C ATOM 743 C LEU A 46 12.234 0.662 -10.381 1.00 0.00 C ATOM 744 O LEU A 46 12.147 0.427 -9.176 1.00 0.00 O ATOM 745 CB LEU A 46 10.116 0.119 -11.588 1.00 0.00 C ATOM 746 CG LEU A 46 9.129 -0.563 -10.640 1.00 0.00 C ATOM 747 CD1 LEU A 46 8.773 0.361 -9.491 1.00 0.00 C ATOM 748 CD2 LEU A 46 7.874 -0.976 -11.390 1.00 0.00 C ATOM 0 H LEU A 46 10.914 -2.150 -10.781 1.00 0.00 H new ATOM 0 HA LEU A 46 12.093 -0.125 -12.372 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.020 1.198 -11.465 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.823 -0.112 -12.612 1.00 0.00 H new ATOM 0 HG LEU A 46 9.603 -1.457 -10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.070 -0.140 -8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.676 0.618 -8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.317 1.270 -9.883 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.181 -1.460 -10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.400 -0.094 -11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.139 -1.671 -12.187 1.00 0.00 H new ATOM 760 N LYS A 47 12.882 1.706 -10.874 1.00 0.00 N ATOM 761 CA LYS A 47 13.533 2.679 -10.012 1.00 0.00 C ATOM 762 C LYS A 47 12.727 3.969 -9.980 1.00 0.00 C ATOM 763 O LYS A 47 13.195 4.994 -9.486 1.00 0.00 O ATOM 764 CB LYS A 47 14.951 2.960 -10.505 1.00 0.00 C ATOM 765 CG LYS A 47 15.942 1.856 -10.177 1.00 0.00 C ATOM 766 CD LYS A 47 17.335 2.207 -10.667 1.00 0.00 C ATOM 767 CE LYS A 47 18.332 1.099 -10.372 1.00 0.00 C ATOM 768 NZ LYS A 47 19.695 1.441 -10.864 1.00 0.00 N ATOM 0 H LYS A 47 12.971 1.901 -11.871 1.00 0.00 H new ATOM 0 HA LYS A 47 13.588 2.270 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.928 3.107 -11.585 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.301 3.893 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.963 1.691 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.616 0.923 -10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.306 2.394 -11.740 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.666 3.130 -10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.368 0.918 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.997 0.174 -10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.349 0.662 -10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.666 1.590 -11.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 20.024 2.310 -10.398 1.00 0.00 H new ATOM 782 N THR A 48 11.514 3.907 -10.516 1.00 0.00 N ATOM 783 CA THR A 48 10.628 5.062 -10.563 1.00 0.00 C ATOM 784 C THR A 48 9.811 5.171 -9.276 1.00 0.00 C ATOM 785 O THR A 48 8.944 4.342 -9.019 1.00 0.00 O ATOM 786 CB THR A 48 9.689 4.968 -11.780 1.00 0.00 C ATOM 787 OG1 THR A 48 9.399 3.594 -12.061 1.00 0.00 O ATOM 788 CG2 THR A 48 10.336 5.605 -13.000 1.00 0.00 C ATOM 0 H THR A 48 11.120 3.061 -10.927 1.00 0.00 H new ATOM 0 HA THR A 48 11.241 5.958 -10.659 1.00 0.00 H new ATOM 0 HB THR A 48 8.766 5.500 -11.549 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.800 3.538 -12.835 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.659 5.530 -13.851 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.546 6.655 -12.794 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.267 5.087 -13.230 1.00 0.00 H new ATOM 796 N PRO A 49 10.082 6.209 -8.458 1.00 0.00 N ATOM 797 CA PRO A 49 9.395 6.435 -7.170 1.00 0.00 C ATOM 798 C PRO A 49 7.874 6.508 -7.295 1.00 0.00 C ATOM 799 O PRO A 49 7.151 5.979 -6.448 1.00 0.00 O ATOM 800 CB PRO A 49 9.953 7.784 -6.704 1.00 0.00 C ATOM 801 CG PRO A 49 11.259 7.920 -7.403 1.00 0.00 C ATOM 802 CD PRO A 49 11.084 7.253 -8.733 1.00 0.00 C ATOM 0 HA PRO A 49 9.572 5.611 -6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.279 8.601 -6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.080 7.806 -5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.530 8.969 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.059 7.449 -6.832 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.737 7.954 -9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.020 6.827 -9.096 1.00 0.00 H new ATOM 810 N GLU A 50 7.396 7.169 -8.345 1.00 0.00 N ATOM 811 CA GLU A 50 5.960 7.302 -8.582 1.00 0.00 C ATOM 812 C GLU A 50 5.325 5.938 -8.845 1.00 0.00 C ATOM 813 O GLU A 50 4.232 5.649 -8.360 1.00 0.00 O ATOM 814 CB GLU A 50 5.705 8.227 -9.773 1.00 0.00 C ATOM 815 CG GLU A 50 5.943 9.698 -9.473 1.00 0.00 C ATOM 816 CD GLU A 50 5.680 10.578 -10.678 1.00 0.00 C ATOM 817 OE1 GLU A 50 4.524 11.018 -10.851 1.00 0.00 O ATOM 818 OE2 GLU A 50 6.629 10.822 -11.453 1.00 0.00 O ATOM 0 H GLU A 50 7.982 7.622 -9.047 1.00 0.00 H new ATOM 0 HA GLU A 50 5.507 7.732 -7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.350 7.926 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.676 8.097 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.298 10.008 -8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.972 9.837 -9.141 1.00 0.00 H new ATOM 825 N GLU A 51 6.031 5.101 -9.604 1.00 0.00 N ATOM 826 CA GLU A 51 5.548 3.766 -9.946 1.00 0.00 C ATOM 827 C GLU A 51 5.621 2.822 -8.743 1.00 0.00 C ATOM 828 O GLU A 51 4.793 1.921 -8.608 1.00 0.00 O ATOM 829 CB GLU A 51 6.362 3.197 -11.110 1.00 0.00 C ATOM 830 CG GLU A 51 5.636 2.129 -11.908 1.00 0.00 C ATOM 831 CD GLU A 51 6.120 2.047 -13.342 1.00 0.00 C ATOM 832 OE1 GLU A 51 7.314 1.745 -13.549 1.00 0.00 O ATOM 833 OE2 GLU A 51 5.304 2.281 -14.258 1.00 0.00 O ATOM 0 H GLU A 51 6.945 5.327 -9.996 1.00 0.00 H new ATOM 0 HA GLU A 51 4.503 3.851 -10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.638 4.012 -11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.289 2.777 -10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.775 1.162 -11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.566 2.338 -11.900 1.00 0.00 H new ATOM 840 N GLN A 52 6.622 3.031 -7.883 1.00 0.00 N ATOM 841 CA GLN A 52 6.807 2.209 -6.685 1.00 0.00 C ATOM 842 C GLN A 52 5.585 2.279 -5.774 1.00 0.00 C ATOM 843 O GLN A 52 5.049 1.250 -5.363 1.00 0.00 O ATOM 844 CB GLN A 52 8.052 2.662 -5.917 1.00 0.00 C ATOM 845 CG GLN A 52 9.348 2.431 -6.674 1.00 0.00 C ATOM 846 CD GLN A 52 10.375 1.667 -5.867 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.047 2.229 -5.002 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.506 0.379 -6.148 1.00 0.00 N ATOM 0 H GLN A 52 7.320 3.767 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 52 6.938 1.176 -7.006 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.960 3.723 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.096 2.131 -4.966 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.134 1.883 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.767 3.393 -6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.928 -0.046 -6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.185 -0.188 -5.639 1.00 0.00 H new ATOM 857 N ALA A 53 5.149 3.501 -5.475 1.00 0.00 N ATOM 858 CA ALA A 53 3.991 3.716 -4.614 1.00 0.00 C ATOM 859 C ALA A 53 2.713 3.222 -5.280 1.00 0.00 C ATOM 860 O ALA A 53 1.866 2.612 -4.627 1.00 0.00 O ATOM 861 CB ALA A 53 3.867 5.188 -4.253 1.00 0.00 C ATOM 0 H ALA A 53 5.582 4.358 -5.818 1.00 0.00 H new ATOM 0 HA ALA A 53 4.138 3.141 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.999 5.333 -3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.766 5.511 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.748 5.777 -5.162 1.00 0.00 H new ATOM 867 N LYS A 54 2.589 3.479 -6.585 1.00 0.00 N ATOM 868 CA LYS A 54 1.418 3.056 -7.356 1.00 0.00 C ATOM 869 C LYS A 54 1.252 1.539 -7.320 1.00 0.00 C ATOM 870 O LYS A 54 0.133 1.034 -7.258 1.00 0.00 O ATOM 871 CB LYS A 54 1.540 3.534 -8.804 1.00 0.00 C ATOM 872 CG LYS A 54 1.173 4.998 -8.989 1.00 0.00 C ATOM 873 CD LYS A 54 1.315 5.436 -10.439 1.00 0.00 C ATOM 874 CE LYS A 54 1.068 6.929 -10.595 1.00 0.00 C ATOM 875 NZ LYS A 54 1.192 7.372 -12.012 1.00 0.00 N ATOM 0 H LYS A 54 3.289 3.980 -7.131 1.00 0.00 H new ATOM 0 HA LYS A 54 0.535 3.506 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.563 3.378 -9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.896 2.923 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.147 5.160 -8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.812 5.616 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.315 5.192 -10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.610 4.882 -11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.072 7.172 -10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.779 7.480 -9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.016 8.395 -12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.151 7.164 -12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.496 6.866 -12.596 1.00 0.00 H new ATOM 889 N LYS A 55 2.376 0.824 -7.353 1.00 0.00 N ATOM 890 CA LYS A 55 2.366 -0.637 -7.314 1.00 0.00 C ATOM 891 C LYS A 55 1.876 -1.139 -5.965 1.00 0.00 C ATOM 892 O LYS A 55 1.102 -2.085 -5.901 1.00 0.00 O ATOM 893 CB LYS A 55 3.760 -1.196 -7.607 1.00 0.00 C ATOM 894 CG LYS A 55 3.850 -1.932 -8.934 1.00 0.00 C ATOM 895 CD LYS A 55 3.971 -0.961 -10.096 1.00 0.00 C ATOM 896 CE LYS A 55 3.885 -1.668 -11.438 1.00 0.00 C ATOM 897 NZ LYS A 55 3.989 -0.707 -12.571 1.00 0.00 N ATOM 0 H LYS A 55 3.308 1.235 -7.407 1.00 0.00 H new ATOM 0 HA LYS A 55 1.680 -0.987 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.479 -0.377 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.047 -1.874 -6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.711 -2.600 -8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.965 -2.554 -9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.180 -0.214 -10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.920 -0.429 -10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.683 -2.407 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.941 -2.210 -11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.661 -1.165 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.399 0.127 -12.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.979 -0.411 -12.685 1.00 0.00 H new ATOM 911 N LEU A 56 2.312 -0.482 -4.893 1.00 0.00 N ATOM 912 CA LEU A 56 1.919 -0.872 -3.542 1.00 0.00 C ATOM 913 C LEU A 56 0.427 -0.679 -3.320 1.00 0.00 C ATOM 914 O LEU A 56 -0.243 -1.565 -2.794 1.00 0.00 O ATOM 915 CB LEU A 56 2.694 -0.072 -2.505 1.00 0.00 C ATOM 916 CG LEU A 56 2.846 -0.762 -1.149 1.00 0.00 C ATOM 917 CD1 LEU A 56 4.099 -1.620 -1.128 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.877 0.263 -0.024 1.00 0.00 C ATOM 0 H LEU A 56 2.937 0.323 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 56 2.152 -1.931 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.686 0.145 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.194 0.885 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 56 1.983 -1.410 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.192 -2.104 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.033 -2.380 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.972 -0.993 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.986 -0.249 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.719 0.939 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.948 0.834 -0.026 1.00 0.00 H new ATOM 930 N ILE A 57 -0.085 0.486 -3.718 1.00 0.00 N ATOM 931 CA ILE A 57 -1.506 0.783 -3.572 1.00 0.00 C ATOM 932 C ILE A 57 -2.332 -0.180 -4.423 1.00 0.00 C ATOM 933 O ILE A 57 -3.469 -0.510 -4.090 1.00 0.00 O ATOM 934 CB ILE A 57 -1.832 2.240 -3.974 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.947 3.219 -3.202 1.00 0.00 C ATOM 936 CG2 ILE A 57 -3.301 2.552 -3.723 1.00 0.00 C ATOM 937 CD1 ILE A 57 -0.745 4.538 -3.915 1.00 0.00 C ATOM 0 H ILE A 57 0.462 1.235 -4.142 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.761 0.659 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.631 2.351 -5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.393 3.407 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.025 2.757 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.509 3.582 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.922 1.877 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.525 2.421 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.108 5.184 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.271 4.361 -4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.710 5.021 -4.068 1.00 0.00 H new ATOM 949 N ASP A 58 -1.728 -0.644 -5.514 1.00 0.00 N ATOM 950 CA ASP A 58 -2.377 -1.577 -6.422 1.00 0.00 C ATOM 951 C ASP A 58 -2.341 -2.996 -5.861 1.00 0.00 C ATOM 952 O ASP A 58 -3.170 -3.827 -6.211 1.00 0.00 O ATOM 953 CB ASP A 58 -1.693 -1.539 -7.791 1.00 0.00 C ATOM 954 CG ASP A 58 -2.448 -0.691 -8.796 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.585 0.527 -8.562 1.00 0.00 O ATOM 956 OD2 ASP A 58 -2.898 -1.246 -9.821 1.00 0.00 O ATOM 0 H ASP A 58 -0.781 -0.384 -5.790 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.419 -1.277 -6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.682 -1.148 -7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.600 -2.555 -8.175 1.00 0.00 H new ATOM 961 N PHE A 59 -1.381 -3.265 -4.976 1.00 0.00 N ATOM 962 CA PHE A 59 -1.246 -4.591 -4.381 1.00 0.00 C ATOM 963 C PHE A 59 -2.177 -4.773 -3.183 1.00 0.00 C ATOM 964 O PHE A 59 -2.497 -5.899 -2.805 1.00 0.00 O ATOM 965 CB PHE A 59 0.206 -4.850 -3.966 1.00 0.00 C ATOM 966 CG PHE A 59 1.112 -5.172 -5.122 1.00 0.00 C ATOM 967 CD1 PHE A 59 0.676 -5.982 -6.160 1.00 0.00 C ATOM 968 CD2 PHE A 59 2.398 -4.655 -5.178 1.00 0.00 C ATOM 969 CE1 PHE A 59 1.501 -6.264 -7.230 1.00 0.00 C ATOM 970 CE2 PHE A 59 3.228 -4.937 -6.248 1.00 0.00 C ATOM 971 CZ PHE A 59 2.777 -5.743 -7.273 1.00 0.00 C ATOM 0 H PHE A 59 -0.690 -2.586 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.534 -5.318 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.590 -3.971 -3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.230 -5.675 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.321 -6.397 -6.131 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.755 -4.025 -4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.147 -6.893 -8.034 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.227 -4.527 -6.281 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.423 -5.966 -8.109 1.00 0.00 H new ATOM 981 N ILE A 60 -2.611 -3.670 -2.582 1.00 0.00 N ATOM 982 CA ILE A 60 -3.505 -3.738 -1.429 1.00 0.00 C ATOM 983 C ILE A 60 -4.966 -3.500 -1.819 1.00 0.00 C ATOM 984 O ILE A 60 -5.878 -3.957 -1.134 1.00 0.00 O ATOM 985 CB ILE A 60 -3.105 -2.724 -0.328 1.00 0.00 C ATOM 986 CG1 ILE A 60 -2.853 -1.335 -0.920 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.869 -3.210 0.414 1.00 0.00 C ATOM 988 CD1 ILE A 60 -3.985 -0.360 -0.687 1.00 0.00 C ATOM 0 H ILE A 60 -2.361 -2.724 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.406 -4.749 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.934 -2.647 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.939 -0.926 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.684 -1.432 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.600 -2.488 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.079 -4.174 0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.042 -3.317 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.735 0.602 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.897 -0.746 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.140 -0.232 0.384 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.185 -2.798 -2.928 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.542 -2.492 -3.374 1.00 0.00 C ATOM 1002 C LEU A 61 -7.095 -3.557 -4.318 1.00 0.00 C ATOM 1003 O LEU A 61 -8.292 -3.570 -4.608 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.581 -1.127 -4.058 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.885 -0.350 -3.872 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -7.887 0.370 -2.535 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.083 0.635 -5.012 1.00 0.00 C ATOM 0 H LEU A 61 -4.447 -2.433 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.174 -2.477 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.758 -0.523 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.407 -1.267 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.715 -1.057 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.822 0.918 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.790 -0.358 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.050 1.067 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.016 1.180 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.251 1.339 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.125 0.094 -5.957 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.235 -4.453 -4.789 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.668 -5.507 -5.703 1.00 0.00 C ATOM 1021 C LYS A 62 -6.874 -6.826 -4.975 1.00 0.00 C ATOM 1022 O LYS A 62 -7.443 -7.765 -5.529 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.646 -5.696 -6.818 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.757 -4.660 -7.919 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.702 -4.881 -8.987 1.00 0.00 C ATOM 1026 CE LYS A 62 -4.768 -3.810 -10.060 1.00 0.00 C ATOM 1027 NZ LYS A 62 -3.680 -3.964 -11.065 1.00 0.00 N ATOM 0 H LYS A 62 -5.242 -4.473 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.622 -5.197 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.643 -5.657 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.770 -6.689 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.749 -4.707 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.646 -3.662 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.713 -4.879 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.841 -5.862 -9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.735 -3.857 -10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.697 -2.826 -9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.041 -3.145 -11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.145 -4.833 -10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.093 -4.021 -12.018 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.412 -6.896 -3.734 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.543 -8.112 -2.947 1.00 0.00 C ATOM 1043 C LEU A 63 -7.798 -8.074 -2.082 1.00 0.00 C ATOM 1044 O LEU A 63 -8.537 -7.088 -2.081 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.300 -8.324 -2.081 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.184 -9.160 -2.724 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -4.645 -10.592 -2.947 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -3.728 -8.540 -4.038 1.00 0.00 C ATOM 0 H LEU A 63 -5.945 -6.127 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.635 -8.952 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.893 -7.349 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.603 -8.807 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.337 -9.172 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.839 -11.167 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.914 -11.041 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.513 -10.596 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.937 -9.151 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.570 -8.490 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.350 -7.534 -3.854 1.00 0.00 H new ATOM 1060 N SER A 64 -8.029 -9.155 -1.350 1.00 0.00 N ATOM 1061 CA SER A 64 -9.194 -9.262 -0.487 1.00 0.00 C ATOM 1062 C SER A 64 -8.983 -8.523 0.838 1.00 0.00 C ATOM 1063 O SER A 64 -7.852 -8.224 1.218 1.00 0.00 O ATOM 1064 CB SER A 64 -9.504 -10.739 -0.235 1.00 0.00 C ATOM 1065 OG SER A 64 -9.755 -11.418 -1.454 1.00 0.00 O ATOM 0 H SER A 64 -7.421 -9.974 -1.338 1.00 0.00 H new ATOM 0 HA SER A 64 -10.040 -8.792 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.666 -11.208 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.371 -10.826 0.420 1.00 0.00 H new ATOM 0 HG SER A 64 -9.949 -12.361 -1.269 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.083 -8.199 1.546 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.026 -7.496 2.838 1.00 0.00 C ATOM 1073 C PRO A 65 -9.217 -8.248 3.901 1.00 0.00 C ATOM 1074 O PRO A 65 -8.665 -7.636 4.813 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.495 -7.393 3.258 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.274 -7.549 1.997 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.474 -8.475 1.135 1.00 0.00 C ATOM 0 HA PRO A 65 -9.524 -6.534 2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.754 -8.168 3.979 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.702 -6.434 3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.264 -7.959 2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.420 -6.587 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.745 -9.517 1.304 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.629 -8.273 0.075 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.166 -9.576 3.788 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.417 -10.401 4.735 1.00 0.00 C ATOM 1087 C ALA A 66 -6.909 -10.264 4.520 1.00 0.00 C ATOM 1088 O ALA A 66 -6.117 -10.496 5.432 1.00 0.00 O ATOM 1089 CB ALA A 66 -8.843 -11.857 4.609 1.00 0.00 C ATOM 0 H ALA A 66 -9.634 -10.102 3.050 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.641 -10.051 5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.280 -12.464 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.908 -11.944 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.646 -12.207 3.596 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.530 -9.877 3.303 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.125 -9.703 2.940 1.00 0.00 C ATOM 1097 C ASP A 67 -4.553 -8.415 3.533 1.00 0.00 C ATOM 1098 O ASP A 67 -3.441 -8.406 4.064 1.00 0.00 O ATOM 1099 CB ASP A 67 -4.985 -9.678 1.415 1.00 0.00 C ATOM 1100 CG ASP A 67 -3.616 -10.122 0.942 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -3.345 -11.343 0.966 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -2.816 -9.252 0.539 1.00 0.00 O ATOM 0 H ASP A 67 -7.183 -9.677 2.546 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.562 -10.543 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.744 -10.325 0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.179 -8.668 1.054 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.326 -7.331 3.452 1.00 0.00 N ATOM 1108 CA VAL A 68 -4.887 -6.036 3.970 1.00 0.00 C ATOM 1109 C VAL A 68 -4.937 -5.987 5.495 1.00 0.00 C ATOM 1110 O VAL A 68 -4.140 -5.285 6.117 1.00 0.00 O ATOM 1111 CB VAL A 68 -5.714 -4.857 3.401 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.251 -4.509 1.997 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.205 -5.165 3.413 1.00 0.00 C ATOM 0 H VAL A 68 -6.256 -7.325 3.034 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.854 -5.926 3.640 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.549 -3.994 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.844 -3.678 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.199 -4.224 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.377 -5.375 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.755 -4.316 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.399 -6.048 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.530 -5.352 4.437 1.00 0.00 H new ATOM 1123 N GLN A 69 -5.880 -6.726 6.088 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.056 -6.762 7.546 1.00 0.00 C ATOM 1125 C GLN A 69 -4.750 -7.080 8.282 1.00 0.00 C ATOM 1126 O GLN A 69 -4.487 -6.527 9.350 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.130 -7.789 7.924 1.00 0.00 C ATOM 1128 CG GLN A 69 -7.964 -7.379 9.128 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.279 -8.130 9.215 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -9.355 -9.206 9.810 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -10.325 -7.564 8.626 1.00 0.00 N ATOM 0 H GLN A 69 -6.539 -7.313 5.577 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.373 -5.766 7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.790 -7.944 7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.650 -8.745 8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.390 -7.554 10.038 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.165 -6.309 9.078 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.218 -6.672 8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.236 -8.021 8.656 1.00 0.00 H new ATOM 1140 N ALA A 70 -3.936 -7.958 7.698 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.662 -8.354 8.295 1.00 0.00 C ATOM 1142 C ALA A 70 -1.646 -7.215 8.247 1.00 0.00 C ATOM 1143 O ALA A 70 -0.849 -7.043 9.169 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.117 -9.581 7.579 1.00 0.00 C ATOM 0 H ALA A 70 -4.138 -8.411 6.807 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.837 -8.596 9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.167 -9.872 8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.828 -10.402 7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.964 -9.349 6.525 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.691 -6.435 7.167 1.00 0.00 N ATOM 1151 CA ARG A 71 -0.781 -5.306 6.984 1.00 0.00 C ATOM 1152 C ARG A 71 -1.155 -4.145 7.895 1.00 0.00 C ATOM 1153 O ARG A 71 -0.291 -3.393 8.336 1.00 0.00 O ATOM 1154 CB ARG A 71 -0.808 -4.837 5.534 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.192 -5.824 4.556 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.127 -5.242 3.156 1.00 0.00 C ATOM 1157 NE ARG A 71 0.899 -4.205 3.041 1.00 0.00 N ATOM 1158 CZ ARG A 71 1.523 -3.898 1.906 1.00 0.00 C ATOM 1159 NH1 ARG A 71 1.230 -4.543 0.784 1.00 0.00 N ATOM 1160 NH2 ARG A 71 2.444 -2.944 1.894 1.00 0.00 N ATOM 0 H ARG A 71 -2.352 -6.566 6.402 1.00 0.00 H new ATOM 0 HA ARG A 71 0.223 -5.643 7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.841 -4.649 5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.278 -3.888 5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.811 -6.091 4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.779 -6.742 4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.081 -6.038 2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.098 -4.822 2.892 1.00 0.00 H new ATOM 0 HE ARG A 71 1.151 -3.686 3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.523 -5.278 0.788 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.711 -4.303 -0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.674 -2.446 2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.923 -2.708 1.025 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.453 -3.998 8.162 1.00 0.00 N ATOM 1175 CA ILE A 72 -2.943 -2.931 9.028 1.00 0.00 C ATOM 1176 C ILE A 72 -2.454 -3.151 10.461 1.00 0.00 C ATOM 1177 O ILE A 72 -2.191 -2.196 11.195 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.492 -2.851 9.002 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -4.983 -2.480 7.602 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.011 -1.840 10.019 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.313 -3.104 7.237 1.00 0.00 C ATOM 0 H ILE A 72 -3.183 -4.606 7.790 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.549 -1.986 8.654 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.880 -3.834 9.269 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.070 -1.396 7.533 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.235 -2.787 6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.100 -1.807 9.976 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.696 -2.136 11.020 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.609 -0.853 9.789 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.596 -2.795 6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.227 -4.190 7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.075 -2.777 7.944 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.312 -4.424 10.837 1.00 0.00 N ATOM 1194 CA ASN A 73 -1.853 -4.799 12.173 1.00 0.00 C ATOM 1195 C ASN A 73 -0.397 -4.392 12.409 1.00 0.00 C ATOM 1196 O ASN A 73 -0.071 -3.810 13.444 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.004 -6.308 12.378 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.326 -6.685 13.019 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -3.456 -6.687 14.243 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -4.314 -7.008 12.193 1.00 0.00 N ATOM 0 H ASN A 73 -2.511 -5.218 10.228 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.473 -4.266 12.893 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.916 -6.811 11.415 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.187 -6.669 13.003 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.226 -7.272 12.567 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.161 -6.993 11.185 1.00 0.00 H new ATOM 1207 N VAL A 74 0.475 -4.703 11.450 1.00 0.00 N ATOM 1208 CA VAL A 74 1.894 -4.370 11.571 1.00 0.00 C ATOM 1209 C VAL A 74 2.136 -2.876 11.363 1.00 0.00 C ATOM 1210 O VAL A 74 3.000 -2.290 12.008 1.00 0.00 O ATOM 1211 CB VAL A 74 2.779 -5.178 10.594 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.982 -6.598 11.103 1.00 0.00 C ATOM 1213 CG2 VAL A 74 2.184 -5.194 9.195 1.00 0.00 C ATOM 0 H VAL A 74 0.225 -5.183 10.585 1.00 0.00 H new ATOM 0 HA VAL A 74 2.180 -4.642 12.587 1.00 0.00 H new ATOM 0 HB VAL A 74 3.750 -4.686 10.540 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.607 -7.150 10.401 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.469 -6.569 12.078 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.015 -7.093 11.195 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.829 -5.770 8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.195 -5.651 9.226 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.101 -4.173 8.823 1.00 0.00 H new ATOM 1223 N LEU A 75 1.365 -2.272 10.459 1.00 0.00 N ATOM 1224 CA LEU A 75 1.493 -0.845 10.149 1.00 0.00 C ATOM 1225 C LEU A 75 1.269 0.026 11.383 1.00 0.00 C ATOM 1226 O LEU A 75 2.000 0.988 11.609 1.00 0.00 O ATOM 1227 CB LEU A 75 0.491 -0.461 9.056 1.00 0.00 C ATOM 1228 CG LEU A 75 0.970 0.610 8.075 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.121 0.085 7.236 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.174 1.062 7.182 1.00 0.00 C ATOM 0 H LEU A 75 0.640 -2.751 9.925 1.00 0.00 H new ATOM 0 HA LEU A 75 2.510 -0.671 9.798 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.233 -1.357 8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.424 -0.110 9.533 1.00 0.00 H new ATOM 0 HG LEU A 75 1.323 1.468 8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.449 0.860 6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.949 -0.194 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.792 -0.789 6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.184 1.824 6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.554 0.210 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.973 1.476 7.796 1.00 0.00 H new ATOM 1242 N ARG A 76 0.272 -0.332 12.184 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.064 0.423 13.389 1.00 0.00 C ATOM 1244 C ARG A 76 1.015 0.303 14.471 1.00 0.00 C ATOM 1245 O ARG A 76 1.294 1.266 15.184 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.407 -0.063 13.944 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.605 0.338 13.095 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.138 1.708 13.484 1.00 0.00 C ATOM 1249 NE ARG A 76 -3.842 1.677 14.762 1.00 0.00 N ATOM 1250 CZ ARG A 76 -4.442 2.731 15.309 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.430 3.908 14.692 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -5.060 2.605 16.474 1.00 0.00 N ATOM 0 H ARG A 76 -0.322 -1.145 12.021 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.130 1.474 13.108 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.382 -1.149 14.030 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.538 0.334 14.951 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.320 0.344 12.043 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.395 -0.405 13.207 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.311 2.416 13.542 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.812 2.069 12.707 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.876 0.792 15.268 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.959 4.008 13.793 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.892 4.712 15.117 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.075 1.702 16.949 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.521 3.411 16.896 1.00 0.00 H new ATOM 1266 N ALA A 77 1.626 -0.873 14.582 1.00 0.00 N ATOM 1267 CA ALA A 77 2.644 -1.114 15.603 1.00 0.00 C ATOM 1268 C ALA A 77 4.055 -0.711 15.166 1.00 0.00 C ATOM 1269 O ALA A 77 4.934 -0.528 16.008 1.00 0.00 O ATOM 1270 CB ALA A 77 2.622 -2.576 16.019 1.00 0.00 C ATOM 0 H ALA A 77 1.435 -1.673 13.979 1.00 0.00 H new ATOM 0 HA ALA A 77 2.392 -0.477 16.451 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.383 -2.749 16.780 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.641 -2.824 16.424 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.826 -3.204 15.152 1.00 0.00 H new ATOM 1276 N HIS A 78 4.274 -0.563 13.860 1.00 0.00 N ATOM 1277 CA HIS A 78 5.599 -0.200 13.347 1.00 0.00 C ATOM 1278 C HIS A 78 5.800 1.317 13.283 1.00 0.00 C ATOM 1279 O HIS A 78 6.866 1.789 12.888 1.00 0.00 O ATOM 1280 CB HIS A 78 5.835 -0.826 11.968 1.00 0.00 C ATOM 1281 CG HIS A 78 6.337 -2.238 12.041 1.00 0.00 C ATOM 1282 ND1 HIS A 78 5.628 -3.261 12.639 1.00 0.00 N ATOM 1283 CD2 HIS A 78 7.493 -2.794 11.604 1.00 0.00 C ATOM 1284 CE1 HIS A 78 6.326 -4.380 12.568 1.00 0.00 C ATOM 1285 NE2 HIS A 78 7.459 -4.125 11.946 1.00 0.00 N ATOM 0 H HIS A 78 3.560 -0.687 13.142 1.00 0.00 H new ATOM 0 HA HIS A 78 6.332 -0.597 14.049 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.903 -0.807 11.403 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.554 -0.219 11.418 1.00 0.00 H new ATOM 0 HD1 HIS A 78 4.708 -3.167 13.069 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.292 -2.286 11.084 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.020 -5.341 12.954 1.00 0.00 H new ATOM 1294 N GLY A 79 4.778 2.075 13.675 1.00 0.00 N ATOM 1295 CA GLY A 79 4.884 3.526 13.665 1.00 0.00 C ATOM 1296 C GLY A 79 4.232 4.167 12.455 1.00 0.00 C ATOM 1297 O GLY A 79 4.199 5.393 12.342 1.00 0.00 O ATOM 0 H GLY A 79 3.881 1.712 13.998 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.424 3.923 14.570 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.937 3.807 13.693 1.00 0.00 H new ATOM 1301 N TYR A 80 3.709 3.343 11.552 1.00 0.00 N ATOM 1302 CA TYR A 80 3.052 3.835 10.343 1.00 0.00 C ATOM 1303 C TYR A 80 1.538 3.908 10.559 1.00 0.00 C ATOM 1304 O TYR A 80 0.748 3.465 9.725 1.00 0.00 O ATOM 1305 CB TYR A 80 3.400 2.932 9.153 1.00 0.00 C ATOM 1306 CG TYR A 80 4.876 2.918 8.819 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.755 2.082 9.498 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.390 3.738 7.821 1.00 0.00 C ATOM 1309 CE1 TYR A 80 7.102 2.071 9.198 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.738 3.729 7.516 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.587 2.893 8.206 1.00 0.00 C ATOM 1312 OH TYR A 80 8.928 2.881 7.907 1.00 0.00 O ATOM 0 H TYR A 80 3.727 2.327 11.634 1.00 0.00 H new ATOM 0 HA TYR A 80 3.410 4.841 10.122 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.075 1.915 9.371 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.841 3.264 8.279 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.378 1.431 10.273 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.726 4.392 7.276 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.773 1.420 9.739 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.123 4.374 6.740 1.00 0.00 H new ATOM 0 HH TYR A 80 9.166 3.708 7.439 1.00 0.00 H new ATOM 1322 N GLN A 81 1.163 4.483 11.699 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.237 4.634 12.104 1.00 0.00 C ATOM 1324 C GLN A 81 -1.010 5.580 11.184 1.00 0.00 C ATOM 1325 O GLN A 81 -2.170 5.322 10.865 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.311 5.150 13.542 1.00 0.00 C ATOM 1327 CG GLN A 81 0.131 4.134 14.580 1.00 0.00 C ATOM 1328 CD GLN A 81 0.094 4.689 15.991 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -0.924 4.603 16.677 1.00 0.00 O ATOM 1330 NE2 GLN A 81 1.208 5.262 16.432 1.00 0.00 N ATOM 0 H GLN A 81 1.826 4.861 12.375 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.700 3.650 12.032 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.311 6.041 13.631 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.336 5.453 13.757 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.513 3.257 14.522 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.144 3.802 14.350 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.029 5.311 15.829 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.242 5.653 17.374 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.366 6.678 10.776 1.00 0.00 N ATOM 1340 CA ALA A 82 -0.994 7.661 9.889 1.00 0.00 C ATOM 1341 C ALA A 82 -1.397 7.020 8.565 1.00 0.00 C ATOM 1342 O ALA A 82 -2.415 7.375 7.969 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.047 8.828 9.648 1.00 0.00 C ATOM 0 H ALA A 82 0.590 6.908 11.046 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.897 8.033 10.373 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.523 9.553 8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.192 9.305 10.598 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.870 8.463 9.185 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.582 6.068 8.126 1.00 0.00 N ATOM 1350 CA LEU A 83 -0.820 5.340 6.888 1.00 0.00 C ATOM 1351 C LEU A 83 -1.963 4.343 7.056 1.00 0.00 C ATOM 1352 O LEU A 83 -2.775 4.152 6.151 1.00 0.00 O ATOM 1353 CB LEU A 83 0.455 4.594 6.488 1.00 0.00 C ATOM 1354 CG LEU A 83 1.515 5.438 5.773 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.362 6.202 6.778 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.394 4.555 4.907 1.00 0.00 C ATOM 0 H LEU A 83 0.263 5.780 8.620 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.095 6.053 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.901 4.165 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.180 3.762 5.840 1.00 0.00 H new ATOM 0 HG LEU A 83 1.006 6.160 5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.108 6.795 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.723 6.862 7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.863 5.497 7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.143 5.168 4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.892 3.813 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.780 4.049 4.162 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.023 3.726 8.239 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.040 2.724 8.549 1.00 0.00 C ATOM 1370 C ALA A 84 -4.433 3.331 8.697 1.00 0.00 C ATOM 1371 O ALA A 84 -5.431 2.626 8.584 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.654 1.970 9.816 1.00 0.00 C ATOM 0 H ALA A 84 -1.372 3.907 9.003 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.083 2.032 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.416 1.224 10.042 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.695 1.475 9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.575 2.671 10.647 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.496 4.635 8.950 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.777 5.320 9.109 1.00 0.00 C ATOM 1380 C ASP A 85 -6.366 5.728 7.760 1.00 0.00 C ATOM 1381 O ASP A 85 -7.584 5.849 7.619 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.610 6.554 9.997 1.00 0.00 C ATOM 1383 CG ASP A 85 -6.874 6.887 10.763 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.074 6.313 11.854 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.665 7.720 10.272 1.00 0.00 O ATOM 0 H ASP A 85 -3.679 5.238 9.049 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.468 4.623 9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.795 6.385 10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.326 7.407 9.380 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.499 5.928 6.772 1.00 0.00 N ATOM 1391 CA LYS A 86 -5.937 6.340 5.441 1.00 0.00 C ATOM 1392 C LYS A 86 -6.508 5.174 4.634 1.00 0.00 C ATOM 1393 O LYS A 86 -7.582 5.294 4.044 1.00 0.00 O ATOM 1394 CB LYS A 86 -4.781 6.990 4.679 1.00 0.00 C ATOM 1395 CG LYS A 86 -5.224 8.116 3.757 1.00 0.00 C ATOM 1396 CD LYS A 86 -5.322 9.440 4.498 1.00 0.00 C ATOM 1397 CE LYS A 86 -5.620 10.587 3.547 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.396 11.057 2.840 1.00 0.00 N ATOM 0 H LYS A 86 -4.490 5.812 6.867 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.738 7.067 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.057 7.380 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.269 6.228 4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.517 8.211 2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.192 7.870 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.105 9.379 5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.387 9.635 5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.362 10.268 2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.058 11.415 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.669 11.608 2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.834 11.655 3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.829 10.237 2.545 1.00 0.00 H new ATOM 1412 N LEU A 87 -5.793 4.050 4.609 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.240 2.881 3.847 1.00 0.00 C ATOM 1414 C LEU A 87 -7.421 2.169 4.512 1.00 0.00 C ATOM 1415 O LEU A 87 -8.290 1.635 3.823 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.083 1.894 3.621 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.195 1.603 4.836 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.664 0.352 5.555 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -2.744 1.452 4.405 1.00 0.00 C ATOM 0 H LEU A 87 -4.909 3.923 5.102 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.583 3.251 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.501 0.951 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.453 2.282 2.821 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.270 2.444 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.020 0.163 6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.691 0.491 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.618 -0.498 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.125 1.246 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.659 0.628 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.407 2.374 3.931 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.452 2.164 5.845 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.527 1.503 6.586 1.00 0.00 C ATOM 1433 C ASN A 88 -9.853 2.242 6.439 1.00 0.00 C ATOM 1434 O ASN A 88 -10.913 1.619 6.406 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.165 1.378 8.065 1.00 0.00 C ATOM 1436 CG ASN A 88 -8.810 0.171 8.718 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -8.272 -0.933 8.677 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -9.972 0.376 9.327 1.00 0.00 N ATOM 0 H ASN A 88 -6.747 2.609 6.433 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.646 0.507 6.160 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.082 1.307 8.166 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.476 2.281 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.452 -0.399 9.784 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.385 1.309 9.338 1.00 0.00 H new ATOM 1445 N LYS A 89 -9.791 3.569 6.357 1.00 0.00 N ATOM 1446 CA LYS A 89 -10.996 4.379 6.222 1.00 0.00 C ATOM 1447 C LYS A 89 -11.670 4.140 4.875 1.00 0.00 C ATOM 1448 O LYS A 89 -12.897 4.133 4.781 1.00 0.00 O ATOM 1449 CB LYS A 89 -10.667 5.861 6.392 1.00 0.00 C ATOM 1450 CG LYS A 89 -11.784 6.652 7.048 1.00 0.00 C ATOM 1451 CD LYS A 89 -11.400 8.109 7.241 1.00 0.00 C ATOM 1452 CE LYS A 89 -12.542 8.902 7.854 1.00 0.00 C ATOM 1453 NZ LYS A 89 -12.186 10.335 8.043 1.00 0.00 N ATOM 0 H LYS A 89 -8.922 4.103 6.382 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.690 4.081 7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.762 5.959 6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.451 6.293 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.683 6.590 6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.026 6.208 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.522 8.174 7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.125 8.546 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.420 8.828 7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.812 8.465 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.992 10.840 8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.364 10.408 8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.953 10.759 7.122 1.00 0.00 H new ATOM 1467 N TYR A 90 -10.860 3.948 3.837 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.372 3.686 2.496 1.00 0.00 C ATOM 1469 C TYR A 90 -11.982 2.290 2.431 1.00 0.00 C ATOM 1470 O TYR A 90 -12.882 2.022 1.638 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.241 3.808 1.474 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.709 4.160 0.081 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -11.039 3.166 -0.832 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -10.822 5.485 -0.320 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -11.463 3.483 -2.107 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -11.246 5.810 -1.593 1.00 0.00 C ATOM 1477 CZ TYR A 90 -11.569 4.806 -2.480 1.00 0.00 C ATOM 1478 OH TYR A 90 -11.990 5.128 -3.748 1.00 0.00 O ATOM 0 H TYR A 90 -9.842 3.969 3.900 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.144 4.420 2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.538 4.569 1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.696 2.865 1.436 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.963 2.129 -0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.574 6.274 0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.710 2.699 -2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -11.324 6.845 -1.892 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.011 6.103 -3.848 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.479 1.413 3.291 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.936 0.035 3.364 1.00 0.00 C ATOM 1490 C LEU A 91 -13.320 -0.063 4.015 1.00 0.00 C ATOM 1491 O LEU A 91 -14.159 -0.854 3.587 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.916 -0.785 4.152 1.00 0.00 C ATOM 1493 CG LEU A 91 -11.358 -2.189 4.545 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -10.809 -3.211 3.562 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.900 -2.497 5.961 1.00 0.00 C ATOM 0 H LEU A 91 -10.741 1.640 3.958 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.026 -0.360 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.005 -0.864 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.660 -0.237 5.059 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.446 -2.242 4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.133 -4.209 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.180 -2.989 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.720 -3.168 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.219 -3.502 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.813 -2.434 6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.339 -1.776 6.650 1.00 0.00 H new ATOM 1507 N THR A 92 -13.545 0.746 5.048 1.00 0.00 N ATOM 1508 CA THR A 92 -14.824 0.754 5.757 1.00 0.00 C ATOM 1509 C THR A 92 -15.721 1.897 5.282 1.00 0.00 C ATOM 1510 O THR A 92 -16.712 2.231 5.938 1.00 0.00 O ATOM 1511 CB THR A 92 -14.633 0.865 7.284 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.394 0.258 7.677 1.00 0.00 O ATOM 1513 CG2 THR A 92 -15.786 0.194 8.018 1.00 0.00 C ATOM 0 H THR A 92 -12.858 1.405 5.414 1.00 0.00 H new ATOM 0 HA THR A 92 -15.305 -0.197 5.530 1.00 0.00 H new ATOM 0 HB THR A 92 -14.613 1.922 7.548 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.646 0.809 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.633 0.283 9.094 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.723 0.678 7.743 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.828 -0.860 7.743 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.361 2.504 4.149 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.128 3.616 3.583 1.00 0.00 C ATOM 1523 C LEU A 93 -17.605 3.259 3.425 1.00 0.00 C ATOM 1524 O LEU A 93 -18.481 4.083 3.691 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.552 4.027 2.228 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.823 5.478 1.829 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -14.803 6.406 2.468 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.804 5.627 0.317 1.00 0.00 C ATOM 0 H LEU A 93 -14.540 2.243 3.603 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.051 4.451 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.474 3.864 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.963 3.371 1.460 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.814 5.755 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -15.012 7.434 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -14.863 6.321 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.802 6.129 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -15.999 6.666 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.827 5.332 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -16.573 4.990 -0.121 1.00 0.00 H new ATOM 1540 N GLU A 94 -17.871 2.029 2.990 1.00 0.00 N ATOM 1541 CA GLU A 94 -19.240 1.562 2.806 1.00 0.00 C ATOM 1542 C GLU A 94 -19.344 0.063 3.080 1.00 0.00 C ATOM 1543 O GLU A 94 -18.478 -0.691 2.592 1.00 0.00 O ATOM 1544 CB GLU A 94 -19.732 1.885 1.389 1.00 0.00 C ATOM 1545 CG GLU A 94 -18.756 1.489 0.287 1.00 0.00 C ATOM 1546 CD GLU A 94 -19.293 1.776 -1.102 1.00 0.00 C ATOM 1547 OE1 GLU A 94 -19.984 0.901 -1.664 1.00 0.00 O ATOM 1548 OE2 GLU A 94 -19.022 2.877 -1.625 1.00 0.00 O ATOM 0 H GLU A 94 -17.156 1.339 2.759 1.00 0.00 H new ATOM 0 HA GLU A 94 -19.877 2.083 3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.681 1.375 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -19.928 2.955 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -17.818 2.026 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -18.530 0.426 0.372 1.00 0.00 H new TER 1555 GLU A 94